N'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide

C16H16N2O3 — CID 60659461

IUPACN'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2cccc(CO)c2)cc1
InChIInChI=1S/C16H16N2O3/c1-11-5-7-13(8-6-11)17-15(20)16(21)18-14-4-2-3-12(9-14)10-19/h2-9,19H,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyQPKTTYPLZHXCNG-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.06
Rot. Bonds3

About N'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide

N'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide (PubChem CID 60659461) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide
PubChem CID60659461
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2cccc(CO)c2)cc1
InChIInChI=1S/C16H16N2O3/c1-11-5-7-13(8-6-11)17-15(20)16(21)18-14-4-2-3-12(9-14)10-19/h2-9,19H,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyQPKTTYPLZHXCNG-UHFFFAOYSA-N
XLogP2.06
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide
CID 60629869
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 86919833
N-[3-(hydroxymethyl)phenyl]propanamide
CID 12959862
1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 57445000
1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea
CID 131994372
N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164338
1-(4-acetylphenyl)-3-[3-(hydroxymethyl)phenyl]thiourea
CID 34555128
2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 82110089
1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
CID 64794146
3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 104852214
N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide
CID 62197477

Frequently Asked Questions

What is the IUPAC name of N'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide (CID 60659461) is N'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)Nc2cccc(CO)c2)cc1.
What is the InChIKey of N'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide?
The InChIKey is QPKTTYPLZHXCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-5-7-13(8-6-11)17-15(20)16(21)18-14-4-2-3-12(9-14)10-19/h2-9,19H,10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide?
N'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide has a molecular weight of 284.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(hydroxymethyl)phenyl]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 60659461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).